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Drug Details

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Name:topostatin
PubChem ID:44559995
Pathway:Show KEGG pathways
InChI:InChI=1S/C36H58N4O11S/c1-8-9-10-11-12-13-22(2)14-15-23(3)16-18-29(41)24(4)17-19-30-26(6)34(44)39-27(7)35(45)38-21-25(5)33(43)40-28(36(46)50-30)20-31(32(37)42)51-52(47,48)49/h15-16,18,22,24-26,28,30-31H,7-14,17,19-21H2,1-6H3,(H2,37,42)(H,38,45)(H,39,44)(H,40,43)(H,47,48,49)/b18-16+,23-15+/t22?,24?,25-,26?,28-,30?,31?/m0/s1
SMILES:CCCCCCCC(C/C=C(/C=C/C(=O)C(CCC1OC(=O)[C@H](CC(C(=O)N)OS(=O)(=O)O)NC(=O)[C@@H](C)CNC(=O)C(=C)NC(=O)C1C)C)\C)C

Properties:
Formula:C36H58N4O11SAtoms:52
Molecular Weight:754.931Rotatable Bonds:19
H-bond Acceptors:15H-bond Donors:5
logP:6.1204
Targets:
Synonyms:
CHEBI:546561
CHEMBL505529
topostatin